Glycoside
...
GD153459

Name:
Angelmicin B

Formula:
C85H112O37

Smiles:
CCCC1(O)C(OC2CCC(OC3CCC(O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(OC2CC(O)C(O)C(C)O2)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(OC5CCC(OC7CCC(O)(C(C)=O)C(C)O7)C(C)O5)C(O)C6OC5CC(O)C(O)C(C)O5)c(O)c4c(O)c3C(=O)C21O

Aglycone:
CCCC1(O)C(OC2CCC(OC3CCC(O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(OC5CCC(OC7CCC(O)(C(C)=O)C(C)O7)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O

Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 15
HBD: 15 FractionCSP3: 0.72
AlogP: 2.4 Num_rotatable_bonds: 22
MolWt: 1725.79 Num_heavy_atoms: 122
TPSA: 553.55 NumAromaticRings: 3

Unique Aglycone
AD61033
Formula: C73H92O31

Smiles:
CCCC1(O)C(OC2CCC(OC3CCC(O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(OC5CCC(OC7CCC(O)(C(C)=O)C(C)O7)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O
HBA: 31 RingCount: 13
HBD: 13 FractionCSP3: 0.67
AlogP: 2.64 Num_rotatable_bonds: 18
MolWt: 1465.51 Num_heavy_atoms: 104
TPSA: 476.17 NumAromaticRings: 3

Sugarmoiety
SD00486

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O