Glycoside
...
GD003434

Name:
None

Formula:
C73H70O22N10Cl2

Smiles:
CC(=O)NC1C(O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C[C@@H]3NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@@H]3C(=O)N[C@H]2C(=O)N[C@H](C(=O)NCCCN(C)C)c2cc(O)cc(O)c2-c2cc3ccc2O)OC(CO)C(O)C1O

Aglycone:
CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 14
HBD: 19 FractionCSP3: 0.3
AlogP: 2.94 Num_rotatable_bonds: 9
MolWt: 1486.3 Num_heavy_atoms: 105
TPSA: 490.28 NumAromaticRings: 7

Unique Aglycone
AD03126
Formula: C65H57O17N9Cl2

Smiles:
CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 26 RingCount: 13
HBD: 16 FractionCSP3: 0.22
AlogP: 4.97 Num_rotatable_bonds: 5
MolWt: 1283.1 Num_heavy_atoms: 91
TPSA: 402.26 NumAromaticRings: 7

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O