Glycoside
...
GD117860

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-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:
C47H74O15

Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C

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: 4.69 Num_rotatable_bonds: 12
MolWt: 879.09 Num_heavy_atoms: 62
TPSA: 187.13 NumAromaticRings: 0

Unique Aglycone
AD44861
Formula: C26H38O5

Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.77
AlogP: 4.12 Num_rotatable_bonds: 3
MolWt: 430.59 Num_heavy_atoms: 31
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD01107

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