Glycoside
...
GD152931

Name:
Hibarimicin C

Formula:
C83H110O36

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)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)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: 36 RingCount: 15
HBD: 15 FractionCSP3: 0.72
AlogP: 2.44 Num_rotatable_bonds: 21
MolWt: 1683.76 Num_heavy_atoms: 119
TPSA: 536.48 NumAromaticRings: 3

Unique Aglycone
AD60849
Formula: C71H90O30

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)O7)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O
HBA: 30 RingCount: 13
HBD: 13 FractionCSP3: 0.68
AlogP: 2.68 Num_rotatable_bonds: 17
MolWt: 1423.47 Num_heavy_atoms: 101
TPSA: 459.1 NumAromaticRings: 3

Sugarmoiety
SD00486

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