Glycoside
...
GD121529

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

Formula:
C43H68O16

Smiles:
COC1CC(OC2C(C)OC(OC3C=C4CCC5(O)C(C(OC(C)=O)C(O)C6(C)C(C(C)=O)CCC56O)C4(C)CC3)CC2OC)OC(C)C1OC1CC(O)C(O)C(C)O1

Aglycone:
CC(=O)OC1C2C3(C)CCC(O)C=C3CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 5 FractionCSP3: 0.91
AlogP: 2.21 Num_rotatable_bonds: 10
MolWt: 841.0 Num_heavy_atoms: 59
TPSA: 218.36 NumAromaticRings: 0

Unique Aglycone
AD47455
Formula: C23H34O7

Smiles:
CC(=O)OC1C2C3(C)CCC(O)C=C3CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1O
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.83
AlogP: 1.26 Num_rotatable_bonds: 2
MolWt: 422.52 Num_heavy_atoms: 30
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD05829

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(O)C(C)O2)C(C)O1