Glycoside
...
GD138436

Name:
1-acetyl-3a-hydroxy-7-[(5-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-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:
C51H80O17

Smiles:
CC=C(C)C(=O)OC1CC2C3CCC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(O)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CC3=CCC2C2(O)CCC(C(C)=O)C12

Aglycone:
CC=C(C)C(=O)OC1CC2C3CCC(O)CC3=CCC2C2(O)CCC(C(C)=O)C12

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 3 FractionCSP3: 0.88
AlogP: 4.82 Num_rotatable_bonds: 14
MolWt: 965.18 Num_heavy_atoms: 68
TPSA: 205.59 NumAromaticRings: 0

Unique Aglycone
AD48540
Formula: C24H34O5

Smiles:
CC=C(C)C(=O)OC1CC2C3CCC(O)CC3=CCC2C2(O)CCC(C(C)=O)C12
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.75
AlogP: 3.34 Num_rotatable_bonds: 3
MolWt: 402.53 Num_heavy_atoms: 29
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04333

COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)OC2C)OC(C)C1O