Glycoside
...
GD127309

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

Formula:
C62H100O22

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(=O)C=C(C)C(C)C)C7(C)C(O)(C(C)=O)CCC87O)C6)OC5C)CC4OC)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(O)OC5C)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 5 FractionCSP3: 0.9
AlogP: 5.01 Num_rotatable_bonds: 18
MolWt: 1197.46 Num_heavy_atoms: 84
TPSA: 273.74 NumAromaticRings: 0

Unique Aglycone
AD11904
Formula: C28H42O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.79
AlogP: 2.98 Num_rotatable_bonds: 4
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD04414

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(O)OC5C)CC4OC)CC3OC)CC2OC)OC(C)C1O