Glycoside
...
GD136007

Name:
Hibarimicin D

Formula:
C85H112O38

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(OC7CC(O)C(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(O)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O

Sugarmoiety:
CC(=O)C1(O)C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 15
HBD: 16 FractionCSP3: 0.72
AlogP: 1.37 Num_rotatable_bonds: 22
MolWt: 1741.79 Num_heavy_atoms: 123
TPSA: 573.78 NumAromaticRings: 3

Unique Aglycone
AD54982
Formula: C65H80O28

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(O)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O
HBA: 28 RingCount: 12
HBD: 13 FractionCSP3: 0.65
AlogP: 1.77 Num_rotatable_bonds: 15
MolWt: 1309.33 Num_heavy_atoms: 93
TPSA: 440.64 NumAromaticRings: 3

Sugarmoiety
SD05756

CC(=O)C1(O)C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O