Glycoside
...
GD019762

Name:
(6-{[10-(acetyloxy)-2-hydroxy-4,6b,9,9,12a-pentamethyl-3-methylidene-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:
C37H56O10

Smiles:
C=C1[C@H](O)C[C@@]23CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5C[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]5O)[C@@]4(C)C2=CC[C@H]3[C@H]1C

Aglycone:
C=C1C(O)CC23CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CC(O)C4(C)C2=CCC3C1C.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 4 FractionCSP3: 0.84
AlogP: 3.83 Num_rotatable_bonds: 5
MolWt: 660.85 Num_heavy_atoms: 47
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
AD13748
Formula: C29H44O4

Smiles:
C=C1C(O)CC23CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CC(O)C4(C)C2=CCC3C1C
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 5.43 Num_rotatable_bonds: 1
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00017

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