Glycoside
...
GD132574

Name:
4-{3a,3b-dihydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one

Formula:
C42H64O18

Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C5=CC(=O)OC5)=CCC34O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)=CCC21O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.88
AlogP: -1.18 Num_rotatable_bonds: 10
MolWt: 856.96 Num_heavy_atoms: 60
TPSA: 272.98 NumAromaticRings: 0

Unique Aglycone
AD50185
Formula: C23H32O5

Smiles:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)=CCC21O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.78
AlogP: 2.64 Num_rotatable_bonds: 1
MolWt: 388.5 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00089

COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O