Glycoside
...
GD007739

Name:
None

Formula:
C105H106O26N12Cl2

Smiles:
CN(C)CCCNC(=O)C1O[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@H](O)C2NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@@H]4NC(=O)[C@H](Cc5ccc(cc5)O3)NC(=O)[C@H](N(C)Cc3ccc5ccccc5c3)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c4c3)c3ccc(O)c(c3)-c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)cc3[C@H](C(=O)NCCCN(C)C)NC2=O)C(NCc2ccc3ccccc3c2)[C@H](O)C1O

Aglycone:
CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(cc5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N(C)Cc2ccc3ccccc3c2)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21.CN(C)CCCNC=O.NCc1ccc2ccccc2c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 19
HBD: 20 FractionCSP3: 0.32
AlogP: 6.27 Num_rotatable_bonds: 21
MolWt: 1998.95 Num_heavy_atoms: 143
TPSA: 541.69 NumAromaticRings: 11

Unique Aglycone
AD05077
Formula: C6H14ON2

Smiles:
CN(C)CCCNC=O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: -0.32 Num_rotatable_bonds: 5
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 32.34 NumAromaticRings: 0
AD06269
Formula: C77H67O17N9Cl2

Smiles:
CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(cc5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N(C)Cc2ccc3ccccc3c2)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 26 RingCount: 15
HBD: 14 FractionCSP3: 0.21
AlogP: 8.29 Num_rotatable_bonds: 8
MolWt: 1437.31 Num_heavy_atoms: 103
TPSA: 379.48 NumAromaticRings: 9
AD06270
Formula: C11H11N

Smiles:
NCc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.3 Num_rotatable_bonds: 1
MolWt: 157.22 Num_heavy_atoms: 12
TPSA: 26.02 NumAromaticRings: 2

Sugarmoiety
SD00628

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O