Glycoside
...
GD140984

Name:
Astolide B

Formula:
C82H130O30

Smiles:
CCC(OC1CC(C)(O)C(OC2CC(O)C(OC(=O)C(C)C(OC3CCC(O)C(C)O3)c3ccc4c(c3)C(=O)C=C(C)C4=O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)CC(O)C2O

Aglycone:
CC1=CC(=O)c2cc(C(OC3CCC(O)C(C)O3)C(C)C(=O)O)ccc2C1=O.CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)CC(O)C2O

Sugarmoiety:
CC1OC(OC2C(C)OC(O)CC2(C)O)CC(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 7
HBD: 16 FractionCSP3: 0.79
AlogP: 3.73 Num_rotatable_bonds: 17
MolWt: 1595.91 Num_heavy_atoms: 112
TPSA: 492.1 NumAromaticRings: 1

Unique Aglycone
AD56833
Formula: C21H24O7

Smiles:
CC1=CC(=O)c2cc(C(OC3CCC(O)C(C)O3)C(C)C(=O)O)ccc2C1=O
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 2.68 Num_rotatable_bonds: 5
MolWt: 388.42 Num_heavy_atoms: 28
TPSA: 110.13 NumAromaticRings: 1
AD56834
Formula: C48H86O18

Smiles:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)CC(O)C2O
HBA: 18 RingCount: 2
HBD: 14 FractionCSP3: 0.88
AlogP: 0.42 Num_rotatable_bonds: 7
MolWt: 951.2 Num_heavy_atoms: 66
TPSA: 335.82 NumAromaticRings: 0

Sugarmoiety
SD08646

CC1OC(OC2C(C)OC(O)CC2(C)O)CC(O)C1O