Glycoside
...
GD011672

Name:
(6-{[10-(acetyloxy)-2-hydroxy-4,6b,9,9,12a-pentamethyl-1H,2H,3H,4H,4aH,5H,6bH,7H,8H,8aH,9H,10H,11H,12H,12aH,12bH,13H,14H-indeno[1,7a-a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:
C36H56O10

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]3CC[C@]45C[C@H](O)C[C@H](C)[C@H]4CC=C5[C@@]32C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C4=CCC5C(C)CC(O)CC45CCC23)C1(C)C.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 4 FractionCSP3: 0.89
AlogP: 3.66 Num_rotatable_bonds: 5
MolWt: 648.83 Num_heavy_atoms: 46
TPSA: 151.98 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD08890
Formula: C28H44O4

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C4=CCC5C(C)CC(O)CC45CCC23)C1(C)C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.89
AlogP: 5.27 Num_rotatable_bonds: 1
MolWt: 444.66 Num_heavy_atoms: 32
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O