Glycoside
...
GD015713

Name:
4-(3a,11-dihydroxy-7-{[4-hydroxy-5-({4-hydroxy-5-[(4-hydroxy-5-methoxy-6-methyloxan-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:
C42H66O14

Smiles:
CO[C@H]1[C@H](C)OC(OC2[C@H](C)OC(OC3[C@H](C)O[C@@H](OC4CC[C@]5(C)C(CCC6C5CC(O)[C@]5(C)[C@H](C7=CC(=O)OC7)CCC65O)C4)C[C@H]3O)C[C@H]2O)C[C@H]1O

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

Sugarmoiety:
COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC1C

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 5 FractionCSP3: 0.93
AlogP: 2.87 Num_rotatable_bonds: 8
MolWt: 794.98 Num_heavy_atoms: 56
TPSA: 192.06 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
SD02022

COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC1C