Glycoside
...
GD006401

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

Formula:
C40H66O12

Smiles:
CC(=O)OCC1OC(O[C@@H]2C[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]3CC[C@]4(C)C(=CC[C@H]4[C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)[C@@]32C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C4=CCC(C(C)CC(O)C(O)C(C)(C)O)C4(C)CCC23)C1(C)C.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 3.41 Num_rotatable_bonds: 10
MolWt: 738.96 Num_heavy_atoms: 52
TPSA: 192.44 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
AD05305
Formula: C32H54O6

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C4=CCC(C(C)CC(O)C(O)C(C)(C)O)C4(C)CCC23)C1(C)C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.91
AlogP: 5.01 Num_rotatable_bonds: 6
MolWt: 534.78 Num_heavy_atoms: 38
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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