Glycoside
...
GD139974

Name:
1-acetyl-2,3a,3b-trihydroxy-7-[(4-hydroxy-5-{[4-hydroxy-5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 2-methylbut-2-enoate

Formula:
C51H80O19

Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(OC4CC(O)C(OC5CC(O)C(OC6CC(O)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CC(O)C(C(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CC(O)C(C(C)=O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 7 FractionCSP3: 0.88
AlogP: 2.38 Num_rotatable_bonds: 12
MolWt: 997.18 Num_heavy_atoms: 70
TPSA: 268.05 NumAromaticRings: 0

Unique Aglycone
AD56441
Formula: C26H38O7

Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CC(O)C(C(C)=O)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.77
AlogP: 2.2 Num_rotatable_bonds: 3
MolWt: 462.58 Num_heavy_atoms: 33
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD04559

COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1O