Glycoside
...
GD128804

Name:
4-{3a-hydroxy-7-[(3-hydroxy-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:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)=CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12O

Sugarmoiety:
COC1C(O)C(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: -1.32 Num_rotatable_bonds: 10
MolWt: 856.96 Num_heavy_atoms: 60
TPSA: 272.98 NumAromaticRings: 0

Unique Aglycone
AD08280
Formula: C23H32O4

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.78
AlogP: 3.52 Num_rotatable_bonds: 1
MolWt: 372.51 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00606

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O