Glycoside
...
GD035243

Name:
4-(3a,11-dihydroxy-7-{[4-hydroxy-5-({4-hydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-one

Formula:
C47H74O19

Smiles:
CC1O[C@H](O[C@@H]2C(O)C[C@@H](O[C@@H]3C(O)C[C@H](OC4CC[C@]5(C)C(CCC6C5CC(O)[C@]5(C)[C@H](C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
CC1OC(O)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 9 FractionCSP3: 0.94
AlogP: 0.04 Num_rotatable_bonds: 10
MolWt: 943.09 Num_heavy_atoms: 66
TPSA: 282.21 NumAromaticRings: 0

Unique Aglycone
AD02796
Formula: C23H34O5

Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 390.52 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00682

CC1OC(O)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1