Glycoside
...
GD019319

Name:
None

Formula:
C99H108O23N12Cl2

Smiles:
CCCCOc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(N(C)Cc4ccc(OCCCC)cc4)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(O)cc(O)cc4[C@H](C(=O)NCCCN(C)C)NC3=O)OC(C(=O)NCCCN(C)C)C(O)C2O)cc1

Aglycone:
CCCCOc1ccc(CN(C)C2C(=O)NC3Cc4ccc(cc4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(cc(O)c3Cl)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)NCCCN(C)C)NC4=O)cc1.CCCCOc1ccc(CN)cc1.CN(C)CCCNC=O

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

Other Identifiers

Properties
HBA: 35 RingCount: 16
HBD: 17 FractionCSP3: 0.36
AlogP: 8.85 Num_rotatable_bonds: 26
MolWt: 1880.9 Num_heavy_atoms: 134
TPSA: 481.0 NumAromaticRings: 9

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
AD10158
Formula: C11H17ON

Smiles:
CCCCOc1ccc(CN)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.45
AlogP: 2.32 Num_rotatable_bonds: 5
MolWt: 179.26 Num_heavy_atoms: 13
TPSA: 35.25 NumAromaticRings: 1
AD13500
Formula: C77H73O18N9Cl2

Smiles:
CCCCOc1ccc(CN(C)C2C(=O)NC3Cc4ccc(cc4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(cc(O)c3Cl)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)NCCCN(C)C)NC4=O)cc1
HBA: 27 RingCount: 14
HBD: 14 FractionCSP3: 0.27
AlogP: 8.32 Num_rotatable_bonds: 12
MolWt: 1459.36 Num_heavy_atoms: 104
TPSA: 388.71 NumAromaticRings: 8

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O