Glycoside
...
GD134624

Name:
[10-(acetyloxy)-9-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-cyclopenta[a]chrysen-3a-yl]methyl acetate

Formula:
C42H66O13

Smiles:
CC(=O)OCC1OC(OC2C(OC(C)=O)CC3(C)C4=CCC5(C)C6C(O)CC(C(C)C)C6(COC(C)=O)CCC5(C)C4C(O)CC3C2(C)C)C(O)C(O)C1O

Aglycone:
CC(=O)OCC12CCC3(C)C4C(=CCC3(C)C1C(O)CC2C(C)C)C1(C)CC(OC(C)=O)C(O)C(C)(C)C1CC4O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.88
AlogP: 3.45 Num_rotatable_bonds: 8
MolWt: 778.98 Num_heavy_atoms: 55
TPSA: 198.51 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
AD45468
Formula: C34H54O7

Smiles:
CC(=O)OCC12CCC3(C)C4C(=CCC3(C)C1C(O)CC2C(C)C)C1(C)CC(OC(C)=O)C(O)C(C)(C)C1CC4O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 5.05 Num_rotatable_bonds: 4
MolWt: 574.8 Num_heavy_atoms: 41
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00017

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