Glycoside
...
GD120745

Name:
1-acetyl-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-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:
C45H70O15

Smiles:
CC=C(C)C(=O)OC1CC2C3CCC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(O)C(OC)C6O)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(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 3 FractionCSP3: 0.87
AlogP: 3.91 Num_rotatable_bonds: 12
MolWt: 851.04 Num_heavy_atoms: 60
TPSA: 187.13 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
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1